1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine

C15H25N3O2 — CID 100686631

IUPAC1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
SMILESCOCCn1nc(C)c(CNC[C@H]2CCC=CO2)c1C
InChIInChI=1S/C15H25N3O2/c1-12-15(13(2)18(17-12)7-9-19-3)11-16-10-14-6-4-5-8-20-14/h5,8,14,16H,4,6-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyPUBWRSUWLWYIQC-CQSZACIVSA-N
MW279.38 g/mol
LogP1.93
Rot. Bonds7

About 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine

1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine (PubChem CID 100686631) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
PubChem CID100686631
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
SMILESCOCCn1nc(C)c(CNC[C@H]2CCC=CO2)c1C
InChIInChI=1S/C15H25N3O2/c1-12-15(13(2)18(17-12)7-9-19-3)11-16-10-14-6-4-5-8-20-14/h5,8,14,16H,4,6-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyPUBWRSUWLWYIQC-CQSZACIVSA-N
XLogP1.93
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine (CID 100686631) is 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine is COCCn1nc(C)c(CNC[C@H]2CCC=CO2)c1C.
What is the InChIKey of 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine?
The InChIKey is PUBWRSUWLWYIQC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-15(13(2)18(17-12)7-9-19-3)11-16-10-14-6-4-5-8-20-14/h5,8,14,16H,4,6-7,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine?
1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 100686631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).